%chk=000039665.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039665

0 1
 O   -2.280200       1.239500      -1.888900    
 O    1.341700      -4.023800      0.1018000    
 O    3.536300      -3.097300      0.4448000    
 O    4.017200       3.852500       1.031200    
 O    2.238000       2.754600       1.916100    
 N  -0.3669000      0.5499000     -0.8523000    
 C   -3.910100     -0.2773000     -0.1634000    
 C   -4.696500      -1.352100      0.5805000    
 C   -4.033800      0.9219000      0.7711000    
 C   -5.900200     -0.6056000       1.147500    
 C   -5.477600      0.8603000       1.259100    
 C   -2.470600     -0.6735000     -0.4419000    
 C   -1.745000      0.4451000      -1.128900    
 C   0.5003000     -0.5048000     -0.5324000    
 C   0.3713000       1.719300     -0.8487000    
 C    1.782800      4.3900002E-02 -0.3334000    
 C    1.677600       1.439600     -0.5373000    
 C   0.2708000      -1.891600     -0.4004000    
 C    2.871100     -0.7930000      4.9999999E-03
 C    2.780000       2.420200     -0.4343000    
 C  -0.1656000       3.069600      -1.138700    
 C    1.365500      -2.671300     -6.8400003E-02
 C    2.615400      -2.145600      0.1268000    
 C    2.721300      -4.285700      0.4264000    
 C    2.957200       3.005000      0.9586000    
 H   -4.426300     -4.9100000E-02  -1.106500    
 H   -4.104100      -1.773700       1.401900    
 H   -4.996600      -2.176800     -7.3299997E-02
 H   -3.820100       1.874800      0.2777000    
 H   -3.351900      0.8255000       1.625300    
 H   -6.202600      -1.016900       2.115900    
 H   -6.758200     -0.6939000      0.4711000    
 H   -6.121200       1.480300      0.6242000    
 H   -5.568900       1.234400       2.283700    
 H   -2.476600      -1.545000      -1.103400    
 H   -1.998700     -0.9170000      0.5151000    
 H  -0.6774000      -2.373400     -0.5798000    
 H    3.867500     -0.3947000      0.1651000    
 H    2.631200       3.250200      -1.133900    
 H    3.727300       1.940700     -0.7095000    
 H   -1.142300       3.215100     -0.6653000    
 H   0.4779000       3.868500     -0.7588000    
 H  -0.2777000       3.211700      -2.218400    
 H    3.130800      -4.981400     -0.3150000    
 H    2.766200      -4.758000       1.414600    
 H    4.124900       4.226200       1.931800    


%chk=000039665-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039665

0 1
O -2.365243 1.680826 -1.333606
O 1.438374 -3.873137 0.548766
O 3.663748 -2.990045 0.586296
O 4.394448 2.278901 1.127165
O 2.938485 4.090825 1.094178
N -0.339672 0.732682 -0.662193
C -4.035535 -0.218001 -0.079155
C -4.840586 -1.481709 0.320074
C -4.406587 0.786819 1.043275
C -6.210654 -0.923732 0.798123
C -5.917001 0.525385 1.326235
C -2.526492 -0.486967 -0.230225
C -1.764959 0.715202 -0.790143
C 0.542766 -0.347203 -0.321097
C 0.460488 1.915880 -0.885122
C 1.878042 0.180982 -0.329613
C 1.795517 1.585684 -0.688917
C 0.292229 -1.722719 -0.059151
C 3.010572 -0.632267 -0.038332
C 2.983147 2.514423 -0.821541
C -0.112185 3.265378 -1.210130
C 1.424169 -2.494678 0.204648
C 2.740697 -1.971824 0.222597
C 2.877343 -4.247347 0.541440
C 3.401623 3.076377 0.532606
H -4.422193 0.173796 -1.040330
H -4.324804 -1.999018 1.155149
H -4.940757 -2.207265 -0.508499
H -4.199602 1.830981 0.754427
H -3.802660 0.561350 1.946251
H -6.668051 -1.566112 1.571639
H -6.920039 -0.884879 -0.049105
H -6.544232 1.263352 0.793934
H -6.147665 0.625388 2.401963
H -2.377546 -1.342517 -0.921816
H -2.097580 -0.782984 0.746558
H -0.689979 -2.188738 -0.057650
H 4.021776 -0.221765 -0.001889
H 2.739271 3.369597 -1.471884
H 3.837844 1.973686 -1.262247
H -0.890899 3.564700 -0.487665
H 0.690558 4.020216 -1.172412
H -0.592742 3.286644 -2.202766
H 3.103985 -4.784080 -0.400311
H 3.096754 -4.841192 1.441088
H 4.609027 2.636406 2.031785


